| Pubchem ID | 3776 |
|---|---|
| CAS | 67-63-0 |
| IUPAC name | propan-2-ol |
| Synonyms | 2-Propanol|isopropanol|Propan-2-ol|2-Hydroxypropane|Hartosol|Avantine|Alkolave|Dimethylcarbinol |
| Categories | Flavor enhancer |
| SMILES | CC(C)O |
| InCheykey | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 60.096 | 1 | 1 | 0 | 20.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Too Soluble | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |